ChemSpider 2D Image | {1-[(2-Fluorobenzyl)sulfonyl]-3-pyrrolidinyl}boronic acid | C11H15BFNO4S

{1-[(2-Fluorobenzyl)sulfonyl]-3-pyrrolidinyl}boronic acid

  • Molecular FormulaC11H15BFNO4S
  • Average mass287.116 Da
  • Monoisotopic mass287.079895 Da
  • ChemSpider ID72948209

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{1-[(2-Fluorbenzyl)sulfonyl]-3-pyrrolidinyl}borsäure [German] [ACD/IUPAC Name]
{1-[(2-Fluorobenzyl)sulfonyl]-3-pyrrolidinyl}boronic acid [ACD/IUPAC Name]
Acide {1-[(2-fluorobenzyl)sulfonyl]-3-pyrrolidinyl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[1-[[(2-fluorophenyl)methyl]sulfonyl]-3-pyrrolidinyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 494.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 253.0±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 67.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 5.99
ACD/KOC (pH 5.5): 125.26
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.97
ACD/KOC (pH 7.4): 125.01
Polar Surface Area: 86 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 202.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement